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2005056
 
#1

AK Scientific: X5311
Anward: ANW-66612
Apexmol Building Blocks: AM20040623
Beijing Acemol Technology: AMBZ0001
BePharm Building Blocks: B51650...25 total

ref: mol2, SDF, SMILES, flexibase
2.65,0.73,-3.7,0,1,0, 201.063, 2

Similar to: 34478298, 34961746,
32914727
 
#2

ChemMol: 1037410, 44015616
AK Scientific: W3894
Anward: ANW-46309
Apexmol Building Blocks: AM803382
Ark Pharm Building Blocks: AK-86376...22 total

ref: mol2, SDF, SMILES, flexibase
3.10,5.23,-4.77,0,1,0, 193.004, 1
2040597
 
#3

ChemMol: 1034258
AK Scientific: W6354
Anward: ANW-48868
Apexmol Building Blocks: AM803925
Apollo Scientific: PC7958...32 total

ref: mol2, SDF, SMILES, flexibase
1.76,5.1,-9.26,0,1,0, 138.141, 2
75852784
 
#4

Apexmol Building Blocks: AM80904
Beijing Acemol Technology: AMBZ0006
PubChem: 67293427
SureChEMBL: SCHEMBL2144930
ref: mol2, SDF, SMILES, flexibase
2.49,3.39,-3.41,1,1,0, 237.043, 1
75852785
 
#5

Apexmol Building Blocks: AM80904
Beijing Acemol Technology: AMBZ0006
PubChem: 67293427
SureChEMBL: SCHEMBL2144930
ref: mol2, SDF, SMILES, flexibase
2.49,3.38,-3.4,1,1,0, 237.043, 1
31893423
 
#6

ChemMol: 44500095, 44028834
AK Scientific: W4210
Alfa-Aesar: H61282
Angene Building Blocks: AGN-PC-03R5UF
Anward: ANW-23827...49 total

ref: mol2, SDF, SMILES, flexibase
2.74,5.57,-7.48,0,1,0, 217.037, 1

Similar to: 34976508, 34976805, 36180160, 36180163, 36180166, ... 6 in total.
71251215
 
#7

ChemMol: 30109173, 44001309
AK Scientific: L661
Angene Building Blocks: AGN-PC-0NBWR7
Anward: ANW-50156
Apexmol Building Blocks: AM20020174...29 total

ref: mol2, SDF, SMILES, flexibase
2.89,6.49,-2.81,0,0,0, 183.048, 0
2574361
 
#8

ChemMol: 1031363, 30110097, 44008968, 1200368, 98002086
AK Scientific: V2281
Aldrich CPR: CDS003628|ALDRICH
Alfa-Aesar: H32795
Angene Building Blocks: AGN-PC-0KKLDR...53 total

ref: mol2, SDF, SMILES, flexibase
2.69,3.2,-4.66,0,1,0, 218, 0
2382264
 
#9

ChemMol: 1037833
AK Scientific: W4956
Alfa-Aesar: H26560
American Custom Chemicals Corp.: HCH0142268
Angene Building Blocks: AGN-PC-0KKVJJ...38 total

ref: mol2, SDF, SMILES, flexibase
2.74,1.8,-6.47,0,1,0, 160.575, 1
16947871
 
#10

AKOS: AKOS004118817
Apexmol Building Blocks: AM85406
Beijing Acemol Technology: AMBZ0020
Chembo Pharma: KB-73245
EDASA Scientific: BB0223824...15 total

ref: mol2, SDF, SMILES, flexibase
1.62,3.92,-4.35,1,1,0, 148.205, 2
16947877
 
#11

AKOS: AKOS004118847
Apexmol Building Blocks: AM85407
Ark Pharm Building Blocks: AK-90245
Beijing Acemol Technology: AMBZ0021
EDASA Scientific: BB0223826...11 total

ref: mol2, SDF, SMILES, flexibase
1.60,3.91,-4.37,1,1,0, 148.205, 2
5535168
 
#12

ChemMol: 30112745
eMolecules: 13734149
Molport: MolPort-005-980-621
AK Scientific: Y6305
Apexmol Building Blocks: AM20040753...26 total

ref: mol2, SDF, SMILES, flexibase
3.25,2.17,-3.72,0,1,0, 210.074, 0
22057019
 
#13

ChemMol: 44500083, 44032519
Amadis Chemical: A846715
Apexmol Building Blocks: AM20040953
Ark Pharm Building Blocks: AK141737
Beijing Acemol Technology: AMBZ0027...14 total

ref: mol2, SDF, SMILES, flexibase
2.69,2.82,-3.21,2,2,0, 192.045, 1
404327
 
#14

ChemMol: 44005299, 97800361, 30106369, 1203096, 83600680, 98000600
eMolecules: 536188
L99A/M102Q binders: 2-CHLORO-6-METHYLANI
Acorn PharmaTech: ACN-S002514, ACN-S003620
Acros Organics: 10936...78 total

ref: mol2, SDF, SMILES, flexibase
2.45,3.72,-2.68,2,1,0, 141.601, 0

Similar to: 32006567,
1673522
 
#15

ChemMol: 1034226
eMolecules: 503943
Molport: MolPort-001-768-572
AK Scientific: 5935AC
AKOS: AKOS000120424...55 total

ref: mol2, SDF, SMILES, flexibase
2.74,1.15,-7.3,0,1,0, 189.041, 2

Similar to: 2172394,
2167068
 
#16

ChemMol: 30115907, 1202726, 96700397
AK Scientific: W9802
AKOS: AKOS002669419
Alfa-Aesar: L01362
Amadis Chemical: A845552...62 total

ref: mol2, SDF, SMILES, flexibase
6.39,3.71,-1.84,2,1,0, 261.453, 3

Similar to: 2474395, 2583701, 5159678, 5316971, 5316972, ... 20 in total.
34198287
 
#17

Apexmol Building Blocks: AM84273, AM85380
Beijing Acemol Technology: AMBZ0032, AMBZ0055
Chembo Pharma: KB-223838
Innovapharm BB Make on Demand: BBV-00083523
Alfa Chemistry (Depleted): ACM364360781...10 total

ref: mol2, SDF, SMILES, flexibase
2.08,3.87,-2.92,2,1,0, 186.052, 1
2541484
 
#18

ChemMol: 44014702
eMolecules: 11487080
AK Scientific: Y5073
Aldrich CPR: SYX00063|ALDRICH
Anward: ANW-52506...34 total

ref: mol2, SDF, SMILES, flexibase
1.58,2.8,-5.55,3,4,0, 222.288, 4

Similar to: 36737464, 39020360, 44238755,
2525029
 
#19

ChemMol: 30116209
AK Scientific: X4677
Angene Building Blocks: AGN-PC-0NKGC4
Anward: ANW-51102
Apexmol Building Blocks: AM20080774...35 total

ref: mol2, SDF, SMILES, flexibase
2.47,2.72,-10.65,1,2,0, 150.177, 1
hi: mol2, SDF, SMILES, flexibase
2.47,3.51,-42.84,0,2,-1, 149.169, 1

Similar to: 32221441, 34347151, 34386740, 39391821, ... 4 in total.
2243353
 
#20

ChemMol: 1033916, 30116266, 1032326, 98002290, 1033629
AK Scientific: X8131, W4546
AKOS: AKOS009158250, AKOS015847987
Anward: ANW-45603
Apexmol Building Blocks: AM61298...59 total

ref: mol2, SDF, SMILES, flexibase
0.98,-0.35,-5.95,3,2,0, 145.108, 0

Similar to: 34328825, 39125664,
91304639
 
#21

Apexmol Building Blocks: AM805689
Ark Pharm Building Blocks: AK144520
Beijing Acemol Technology: AMBZ0040
Fluorochem: 390203
SureChEMBL: SCHEMBL2483007...5 total

ref: mol2, SDF, SMILES, flexibase
2.60,6.02,-7.78,0,3,0, 240.056, 2
91304642
 
#22

Apexmol Building Blocks: AM805690
Beijing Acemol Technology: AMBZ0041
Debye Scientific BB (Depleted): DA-14172
SureChEMBL: SCHEMBL2365731
ref: mol2, SDF, SMILES, flexibase
2.26,5.91,-9.8,0,3,0, 240.056, 2
91304951
 
#23

Apexmol Building Blocks: AM805846
Beijing Acemol Technology: AMBZ0042
Ryan Scientific: 107-63804
SureChEMBL: SCHEMBL5562562, SCHEMBL3388795
SynQuest BB (Depleted: 101860...7 total

ref: mol2, SDF, SMILES, flexibase
3.18,6.76,-4.06,0,0,0, 221.044, 2
21982574
 
#24

ChemMol: 1030128
AK Scientific: W3746
AKOS: AKOS015891405
Angene Building Blocks: AGN-PC-05IUFF
Anward: ANW-48912...30 total

ref: mol2, SDF, SMILES, flexibase
2.91,3.41,-5.26,1,1,0, 255.033, 2
59652963
 
#25

Beijing Acemol Technology: AMBZ0050
PubChem: 18620621
SureChEMBL: SCHEMBL7236261
Enamine BB Make on Demand: BBV-44269260
ref: mol2, SDF, SMILES, flexibase
1.82,4.96,-7.78,1,2,0, 228.089, 2
17176299
 
#26

American Custom Chemicals Corp.: AAA0001997
Apexmol Building Blocks: AM806099
Beijing Acemol Technology: AMBZ0059
Boerchem Pharmatech BB: BC221521
Synblock: AB04772...12 total

ref: mol2, SDF, SMILES, flexibase
2.01,5.64,-8.96,0,3,0, 191.23, 5
ref: mol2, SDF, SMILES, flexibase
2.01,4.95,-8.13,0,3,0, 191.23, 5
mid: mol2, SDF, SMILES, flexibase
2.01,6.49,-39.12,1,3,1, 192.238, 5
mid: mol2, SDF, SMILES, flexibase
2.01,5.98,-36.23,1,3,1, 192.238, 5

Similar to: 34561224, 34561230, 34623847, 34625579, 34959581, ... 7 in total.
2539090
 
#27

ChemMol: 44014936
AK Scientific: 5855AB
Anward: ANW-58714
Apexmol Building Blocks: AM807186
Ark Pharm Building Blocks: AK-75791...24 total

ref: mol2, SDF, SMILES, flexibase
1.30,2.42,-6.77,2,3,0, 165.192, 2

Similar to: 39018202,
22114241
 
#28

Angene Building Blocks: AGN-PC-0MTMFS
Anward: ANW-51952
Apexmol Building Blocks: AM83048
Ark Pharm Building Blocks: AK-35352
Beijing Acemol Technology: AMBZ0061...28 total

ref: mol2, SDF, SMILES, flexibase
2.41,0.63,-3.61,3,2,0, 178.018, 0
hi: mol2, SDF, SMILES, flexibase
2.41,1.39,-38.54,2,2,-1, 177.01, 0

Similar to: 38760717,
85224862
 
#29

AK Scientific: 2176AB
Anward: ANW-70999
Apexmol Building Blocks: AM85683
Ark Pharm Building Blocks: AK104782
Beijing Acemol Technology: AMBZ0064...13 total

ref: mol2, SDF, SMILES, flexibase
3.83,7.07,-2.82,0,0,0, 263.96, 1
2578408
 
#30

AK Scientific: 6676AB
AKOS: AKOS004909052
Alfa-Aesar: H64140
Anward: ANW-64693
Apexmol Building Blocks: AM85787...23 total

ref: mol2, SDF, SMILES, flexibase
2.15,2.76,-9.32,0,3,0, 180.203, 3

Similar to: 4290753, 34826679, 39250079,
44604201
 
#31

AK Scientific: 8618AA
Anward: ANW-75044
Apexmol Building Blocks: AM803312
Ark Pharm Building Blocks: AK103138
Beijing Acemol Technology: AMBZ0066...18 total

ref: mol2, SDF, SMILES, flexibase
2.60,5.24,-8.41,0,2,0, 225.041, 0
91695884
 
#32

ChemMol: 83603078
AK Scientific: 5669AA
AKOS: AKOS004122916
Aldrich CPR: T149926|ALDRICH
Apexmol Building Blocks: AM85554...18 total

ref: mol2, SDF, SMILES, flexibase
1.56,5.88,-8.85,0,4,0, 206.197, 3
158055
 
#33

Molport: MolPort-001-762-317
AK Scientific: 8475AB
Aldrich CPR: CDS009039|ALDRICH
Anward: ANW-75150
Apexmol Building Blocks: AM85826...27 total

ref: mol2, SDF, SMILES, flexibase
1.85,3.92,-10.29,0,3,0, 176.171, 1

Similar to: 39268893,
54241
 
#34

eMolecules: 626370
Scientific Exchange (make on demand): X-046988
AKOS: AKOS000202383
Aldrich CPR: R396702|ALDRICH
Alinda: IVK/9050203...57 total

ref: mol2, SDF, SMILES, flexibase
0.11,1.4,-17.75,2,5,0, 209.201, 5

Similar to: 6605178, 6605738, 6605743,
3803136
 
#35

AK Scientific: 5470AA
Anward: ANW-66129
Apexmol Building Blocks: AM85545
Ark Pharm Building Blocks: AK-84790
Beijing Acemol Technology: AMBZ0075...30 total

ref: mol2, SDF, SMILES, flexibase
1.52,-1.29,-9.52,1,2,0, 161.204, 0

Similar to: 34574252, 36221924, 36221926, 36221928, 36222308, ... 6 in total.
262139
 
#36

eMolecules: 1431200
Scientific Exchange (make on demand): Z-052251
AK Scientific: 5178AD
AKOS: AKOS000108619
Alinda: IBS-L0179563...50 total

ref: mol2, SDF, SMILES, flexibase
1.97,1.91,-9.93,4,4,0, 222.298, 0
lo: mol2, SDF, SMILES, flexibase
1.97,2.13,-32.27,5,4,1, 223.306, 0
39415889
 
#37

Molport: MolPort-021-912-182
AK Scientific: W3639
Alfa-Aesar: H66669
Angene Building Blocks: AGN-PC-00LBAK
Anward: ANW-45955...24 total

ref: mol2, SDF, SMILES, flexibase
1.59,5.85,-15.52,1,4,0, 190.202, 3
487423
 
#38

Acorn PharmaTech: ACN-S001699
AKOS: AKOS000273551
Aldrich CPR: OTV000030|ALDRICH
Alfa-Aesar: H66063
Apexmol Building Blocks: AM62685...32 total

ref: mol2, SDF, SMILES, flexibase
2.22,-3.12,-13.3,3,4,0, 244.246, 3

Similar to: 3472065, 34475407, 34523340,
3893996
 
#39

eMolecules: 833513
Molport: MolPort-000-870-527
Scientific Exchange (make on demand): K-035536
AK Scientific: W3936
AKOS: AKOS000270106...52 total

ref: mol2, SDF, SMILES, flexibase
3.06,5.46,-4.73,1,2,0, 203.285, 1

Similar to: 5929968, 34558738, 39239288, 39279028, 39279029, ... 5 in total.
402225
 
#40

ChemMol: 30116284, 44028153
Acorn PharmaTech: ACN-S004532
Aldrich CPR: S943045|ALDRICH
Alfa-Aesar: H64506
Angene Building Blocks: AGN-PC-0L5RA7...43 total

ref: mol2, SDF, SMILES, flexibase
4.64,6.54,-1.09,0,0,0, 260.345, 0
34087503
 
#41

Molport: MolPort-022-381-406
Alfa-Aesar: H66253
Angene Building Blocks: AGN-PC-00N0TT
Anward: ANW-45862
Apexmol Building Blocks: AM62703...21 total

ref: mol2, SDF, SMILES, flexibase
1.79,-0.36,-6.06,2,2,0, 203.035, 1
hi: mol2, SDF, SMILES, flexibase
1.79,0.4,-42.91,1,2,-1, 202.027, 1
1621105
 
#42

ChemMol: 1033953, 1033666, 1032363
AK Scientific: X0153
Alfa-Aesar: H66763
Angene Building Blocks: AGN-PC-0JKE6L
Anward: ANW-27296...46 total

ref: mol2, SDF, SMILES, flexibase
3.74,-1.72,-2.36,1,1,0, 241.899, 0
13747755
 
#43

AKOS: AKOS000183479
Alfa-Aesar: H66271
Apexmol Building Blocks: AM85814
Ark Pharm Building Blocks: AK161034
Asinex: ASN17207519...16 total

ref: mol2, SDF, SMILES, flexibase
0.43,2.3,-19.75,2,4,0, 176.175, 3
57517
 
#44

ChemMol: 1201066, 98000569, 1034699, 30117392, 1034673, 44032037, 44004098, 30112929
Acorn PharmaTech: ACN-S002143
Acros Organics: 32803, 32805, 22999, 22928
ACT Chemical BB: ACT09222
AK Scientific: P708...155 total

ref: mol2, SDF, SMILES, flexibase
4.21,6.71,-5.58,4,2,0, 240.35, 1

Similar to: 3676529, 5160003, 5757129,
74119
 
#45

ChemMol: 30108144, 98000202, 44025047
eMolecules: 493640
Molport: MolPort-000-883-922
Scientific Exchange (make on demand): H-040690
Acros Organics: 40200...96 total

ref: mol2, SDF, SMILES, flexibase
0.92,5.43,-14.38,0,2,0, 145.161, 2
98179755
 
#46

Apexmol Building Blocks: AM85894
Ark Pharm Building Blocks: AK151360
Beijing Acemol Technology: AMBZ0089
Bide Pharmatech BB: BD280671
Fluorochem: 386549...6 total

ref: mol2, SDF, SMILES, flexibase
1.41,0.85,-7.29,2,4,0, 182.175, 2
15848231
 
#47

ChemMol: 44003935, 83601132, 30104385, 96705360, 97800319, 1031549
eMolecules: 479577
Molport: MolPort-001-762-318
Scientific Exchange (make on demand): F-441657
Acorn PharmaTech: ACN-S003078...106 total

ref: mol2, SDF, SMILES, flexibase
1.60,4.24,-6.88,0,2,0, 148.161, 0

Similar to: 26478655, 26478663, 34386342, 34589170, 39046814, ... 6 in total.
1691582
 
#48

ChemMol: 30111137, 44012131
eMolecules: 539538
Molport: MolPort-001-766-706
Acorn PharmaTech: ACN-S002754
Acros Organics: 12254...79 total

ref: mol2, SDF, SMILES, flexibase
1.88,4.58,-3.44,0,1,0, 134.178, 0

Similar to: 2389221, 2389222, 2389224, 2389225, 2389232, ... 9 in total.
58121
 
#49

ChemMol: 96700200, 44010813, 30100402
eMolecules: 529222
Acros Organics: 15638
AK Scientific: H721
AKOS: AKOS000119370...160 total

ref: mol2, SDF, SMILES, flexibase
1.89,3.72,-12.48,1,3,0, 176.171, 0

Similar to: 34480190, 39240381,
281086
 
#50

eMolecules: 716404
Acros Organics: 34375
AK Scientific: 8989AC
AKOS: AKOS003627436, AKOS000307991
Aldrich CPR: S64786|ALDRICH...60 total

ref: mol2, SDF, SMILES, flexibase
2.10,2.02,-7.96,0,2,0, 172.231, 1

Similar to: 31886546, 32007657, 32007922, 32008204, 33835757, ... 7 in total.
120494
 
#51

ChemMol: 44003604, 1202037, 30103885, 98001600, 83601307, 1032243, 1033833
eMolecules: 508306
Acros Organics: 36820
AK Scientific: U472
AKOS: AKOS000274493...78 total

ref: mol2, SDF, SMILES, flexibase
2.64,-1.18,-3.38,1,1,0, 187.036, 0

Similar to: 34426898, 34486289, 34529554,
157609
 
#52

ChemMol: 1202408, 98000611, 30100779, 44021983
eMolecules: 485802
Acros Organics: 11312
Alfa-Aesar: A13922
Angene Building Blocks: AGN-PC-0JKAID...88 total

ref: mol2, SDF, SMILES, flexibase
2.30,3.4,-2.49,2,1,0, 162.019, 0
155138
 
#53

ChemMol: 1031235, 97801184, 1200419, 96700732, 44035055, 30109669, 83601790, 44006556, 98001752
eMolecules: 511541
Acorn PharmaTech: ACN-S003924
Alfa-Aesar: A16113
Angene Building Blocks: AGN-PC-0KK0H8...67 total

ref: mol2, SDF, SMILES, flexibase
2.59,2.51,-5.28,0,1,0, 200.01, 0
6091818
 
#54

ChemMol: 97802567, 98002542, 1032384, 1033806, 44000974, 1033974, 1202483, 1032216, 1033686, 30110314
Acorn PharmaTech: ACN-S003491
AK Scientific: X3077
Alfa-Aesar: H61518
Angene Building Blocks: AGN-PC-0JNHEO...60 total

ref: mol2, SDF, SMILES, flexibase
2.62,-0.79,-3.76,1,1,0, 190.999, 0
404164
 
#55

ChemMol: 1031250, 1031407, 1200425, 98002255, 30110062, 44008949
AK Scientific: X4290
Alfa-Aesar: H26172
Angene Building Blocks: AGN-PC-0KKZ86
Anward: ANW-28065...47 total

ref: mol2, SDF, SMILES, flexibase
2.87,2.44,-5.05,0,1,0, 247.01, 0
64033585
 
#56

ChemMol: 2102307
AK Scientific: W4030
AKOS: AKOS015891016
Angene Building Blocks: AGN-PC-080TXL
Anward: ANW-48957...28 total

ref: mol2, SDF, SMILES, flexibase
2.89,2.8,-3.59,1,1,0, 237.999, 0
hi: mol2, SDF, SMILES, flexibase
2.89,3.57,-40.74,0,1,-1, 236.991, 0
2028900
 
#57

ChemMol: 1032334, 44027268, 1033637, 1033924
Acorn PharmaTech: ACN-S001688
AK Scientific: V4936
AKOS: AKOS015856296
Angene Building Blocks: AGN-PC-0K8IW8...35 total

ref: mol2, SDF, SMILES, flexibase
3.41,-1.69,-2.89,1,1,0, 254.454, 0
2567842
 
#58

ChemMol: 98001982, 1031242
Acorn PharmaTech: ACN-S001689
AK Scientific: V0802
AKOS: AKOS015850429
Angene Building Blocks: AGN-PC-04Q08I...34 total

ref: mol2, SDF, SMILES, flexibase
3.38,6.39,-4.41,0,1,0, 263.465, 0
8698531
 
#59

ChemMol: 1030921, 96705738, 44014423
AK Scientific: W4255
AKOS: AKOS015834535
Angene Building Blocks: AGN-PC-0O73DM
Anward: ANW-23925...35 total

ref: mol2, SDF, SMILES, flexibase
2.44,3.54,-8.99,1,3,0, 225.045, 1
2243354
 
#60

ChemMol: 1033915, 1033628, 1032325
Acorn PharmaTech: ACN-S001686
AK Scientific: X0246
Alfa-Aesar: H31555
Angene Building Blocks: AGN-PC-0KKZ43...39 total

ref: mol2, SDF, SMILES, flexibase
1.39,-0.34,-7.33,3,2,0, 145.108, 0

Similar to: 39125781, 39335608,
19615464
 
#61

ChemMol: 1033790, 1034077, 1032490
Acorn PharmaTech: ACN-S001685
AK Scientific: 0179AA
Angene Building Blocks: AGN-PC-03YWYQ
Anward: ANW-44456...27 total

ref: mol2, SDF, SMILES, flexibase
1.90,0.2,-6.01,3,2,0, 161.563, 0
hi: mol2, SDF, SMILES, flexibase
1.90,0.85,-42.06,2,2,-1, 160.555, 0

Similar to: 39128142,
112552
 
#62

ChemMol: 1036062, 44033545
eMolecules: 2721786, 27334913
Molport: MolPort-003-984-672, MolPort-000-002-328
Scientific Exchange (make on demand): F-405996
AK Scientific: W6271...74 total

ref: mol2, SDF, SMILES, flexibase
0.86,2.02,-7.86,3,3,0, 133.154, 0
lo: mol2, SDF, SMILES, flexibase
0.86,2.51,-33.17,4,3,1, 134.162, 0
12359201
 
#63

ChemMol: 1201201, 1032263, 1033853, 44009052, 1032374, 1033566, 30110326, 98002547, 1033964
AK Scientific: R197
Aldrich CPR: L510955|ALDRICH
Alfa-Aesar: H26369
Anward: ANW-20845...48 total

ref: mol2, SDF, SMILES, flexibase
2.71,-0.07,-6.19,1,1,0, 208.989, 0
12471080
 
#64

ChemMol: 44007966, 98002573, 30111290, 1203483
AK Scientific: R219
Aldrich CPR: CDS020010|ALDRICH
Angene Building Blocks: AGN-PC-00PKIJ
Anward: ANW-26342...50 total

ref: mol2, SDF, SMILES, flexibase
1.91,0.31,-4.25,3,2,0, 188.024, 0
2243352
 
#65

ChemMol: 44011136, 1033574, 1033861, 1032271
AK Scientific: X9406
AKOS: AKOS009158760
Angene Building Blocks: AGN-PC-0KKZ3Z
Anward: ANW-47007...37 total

ref: mol2, SDF, SMILES, flexibase
1.39,-0.34,-4.62,3,2,0, 145.108, 0

Similar to: 34477574, 39125781, 39128263, 39335608, ... 4 in total.
158636
 
#66

ChemMol: 30111864, 97802070, 96701251, 44010502
eMolecules: 720112
Molport: MolPort-000-001-506
A&J Pharmtech: AJ-00211
Acorn PharmaTech: ACN-S001661...63 total

ref: mol2, SDF, SMILES, flexibase
3.05,1,-4.26,0,1,0, 197.031, 0

Similar to: 5844200, 31518227, 32163962, 32163964, 32163966, ... 14 in total.
54688
 
#67

ChemMol: 1033781, 30115624, 1202485, 2200367, 1034068, 80100378, 98001402, 1032481
eMolecules: 918230
Scientific Exchange (make on demand): H-068491
Acorn PharmaTech: ACN-S003561
AK Scientific: V0822...85 total

ref: mol2, SDF, SMILES, flexibase
3.11,-1.12,-3.2,1,1,0, 187.036, 0

Similar to: 38218711,
2555381
 
#68

Acros Organics: 43979
Alfa-Aesar: H64963
Angene Building Blocks: AGN-PC-0KVW7I
Anward: ANW-58596
Apexmol Building Blocks: AM85650...29 total

ref: mol2, SDF, SMILES, flexibase
3.44,-0.09,-3.41,0,1,0, 279.959, 2

Similar to: 34319695, 34319710, 34486289,
395496
 
#69

ChemMol: 98001465, 44006071, 1202286, 1035565, 30107695
Acros Organics: 29403
AKOS: AKOS000185073
Alfa-Aesar: A12318
Anward: ANW-26117...55 total

ref: mol2, SDF, SMILES, flexibase
3.18,0.81,-2.99,0,1,0, 201.063, 1

Similar to: 5863243, 34527856, 35803748, 35898578, 39271329, ... 6 in total.
157363
 
#70

ChemMol: 44012975
Acros Organics: 45473
AK Scientific: W3437
Aldrich CPR: L510394|ALDRICH
Alfa-Aesar: B20540...51 total

ref: mol2, SDF, SMILES, flexibase
2.48,1.26,-5.66,0,2,0, 158.103, 0

Similar to: 38265898,
2560117
 
#71

ChemMol: 44033965, 96705474
AK Scientific: V5218
AKOS: AKOS003612230
Aldrich CPR: CDS013917|ALDRICH
Alfa-Aesar: B23661...41 total

ref: mol2, SDF, SMILES, flexibase
3.26,0.64,-3.34,0,2,0, 236.999, 0

Similar to: 34657167,
21982506
 
#72

ChemMol: 1037339
AK Scientific: 0302AB
Apexmol Building Blocks: AM85656
Ark Pharm Building Blocks: AK122111
Aromalake BB: LS10391...14 total

ref: mol2, SDF, SMILES, flexibase
3.27,5.39,-9.54,0,2,0, 238.592, 4
21982509
 
#73

ChemMol: 1037339
AK Scientific: 0302AB
Apexmol Building Blocks: AM85656
Ark Pharm Building Blocks: AK122111
Aromalake BB: LS10391...14 total

ref: mol2, SDF, SMILES, flexibase
3.27,5.39,-7.68,0,2,0, 238.592, 4
2580764
 
#74

ChemMol: 44002447, 30102107
Molport: MolPort-003-986-652
AK Scientific: M648
Alinda Building Blocks: ALBB-018007
Angene Building Blocks: AGN-PC-0KK6R6...45 total

ref: mol2, SDF, SMILES, flexibase
2.43,1.66,-5.79,0,2,0, 229.073, 3

Similar to: 2599125, 38436582,
96308811
 
#75

eMolecules: 481945
Acros Organics: 16314
Alfa-Aesar: L02237
Angene Building Blocks: AGN-PC-0OFZ3V
Apexmol Building Blocks: AM85871...39 total

ref: mol2, SDF, SMILES, flexibase
1.60,5.72,-9,1,2,0, 144.177, 1
157082
 
#76

ChemMol: 30102202, 1036371, 96707550, 30200826, 44002512, 97800190, 51500899
eMolecules: 491718
Molport: MolPort-001-759-333
Acorn PharmaTech: ACN-S002847
Acros Organics: 10931...98 total

ref: mol2, SDF, SMILES, flexibase
2.81,0.04,-5,1,1,0, 151.596, 0

Similar to: 6118371, 32265669, 38439372, 39038419, ... 4 in total.
156461
 
#77

ChemMol: 44010064, 1036525
eMolecules: 526295
Molport: MolPort-001-621-355
Scientific Exchange (make on demand): T-057786
A&J Pharmtech: AJ-02403...80 total

ref: mol2, SDF, SMILES, flexibase
2.57,-2.02,-2.97,1,1,0, 198.063, 0

Similar to: 37116732,
153906
 
#78

ChemMol: 44002480, 30200796, 2000231, 1036461, 96700086, 30102158
eMolecules: 476901
Acorn PharmaTech: ACN-S002848
Acros Organics: 10390, 42662
AK Scientific: L795...106 total

ref: mol2, SDF, SMILES, flexibase
1.21,2.39,-5.96,3,2,0, 132.166, 0

Similar to: 32206420,
1631244
 
#79

ChemMol: 30200797, 51500892, 2000232, 1036518, 96701150, 30109614, 44001047, 97801828
eMolecules: 891428
Molport: MolPort-001-761-125
Acorn PharmaTech: ACN-S002832
Acros Organics: 43333...88 total

ref: mol2, SDF, SMILES, flexibase
1.21,2.4,-5.56,3,2,0, 132.166, 0
lo: mol2, SDF, SMILES, flexibase
0.92,2.71,-35.26,3,2,1, 133.174, 0

Similar to: 39119637, 39269221, 39269225,
167040
 
#80

ChemMol: 83602945, 1202499, 98001342, 44013041
eMolecules: 526869
Acros Organics: 36863, TL00214
AKOS: AKOS000446924
Alfa-Aesar: A11826...76 total

ref: mol2, SDF, SMILES, flexibase
2.79,1.77,-6.8,0,2,0, 229.073, 3

Similar to: 34327260,
1726273
 
#81

ChemMol: 1201854, 97800475, 30102699, 44002814, 98000841
Acorn PharmaTech: ACN-S004416
AK Scientific: K941
Aldrich CPR: T212113|ALDRICH
Alfa-Aesar: H64116...61 total

ref: mol2, SDF, SMILES, flexibase
3.80,8.02,-3.88,0,0,0, 221.097, 1
1845478
 
#82

ChemMol: 30102706, 44001092
Acorn PharmaTech: ACN-S004543
Acros Organics: 16256
AK Scientific: K987
Alfa-Aesar: B24568...63 total

ref: mol2, SDF, SMILES, flexibase
3.83,0.75,-3.87,0,0,0, 221.097, 1

Similar to: 2379580,
2560389
 
#83

ChemMol: 98000996, 44004787, 30105736, 1200075, 1030182
Acorn PharmaTech: ACN-S004515
AKOS: AKOS009157777
Alfa-Aesar: B20634
Angene Building Blocks: AGN-PC-0JLO82...52 total

ref: mol2, SDF, SMILES, flexibase
3.49,6.63,-3.79,0,0,0, 239.034, 2
2242588
 
#84

ChemMol: 1030028, 30100090, 1200074, 98000091, 44010835
Acros Organics: 31298
AK Scientific: I698
Alfa-Aesar: A19330
Anward: ANW-29327...56 total

ref: mol2, SDF, SMILES, flexibase
3.52,6.88,-3.7,0,0,0, 239.034, 2

Similar to: 35905182,
2242589
 
#85

ChemMol: 98000092, 44004786, 30105735, 1200073, 1034527
eMolecules: 495140
Acorn PharmaTech: ACN-S004398
Acros Organics: 31299
AKOS: AKOS001171475...60 total

ref: mol2, SDF, SMILES, flexibase
3.54,6.89,-3.44,0,0,0, 239.034, 2
2539419
 
#86

ChemMol: 1030146, 1200083, 30105739, 44004790, 98000934
Acorn PharmaTech: ACN-S004407
Acros Organics: 30358
Alfa-Aesar: A15213
Angene Building Blocks: AGN-PC-0JLYK8...59 total

ref: mol2, SDF, SMILES, flexibase
2.90,5.99,-3.49,0,0,0, 207.017, 1
54622256
 
#87

ChemMol: 30115253, 1200040, 98002622, 44032961
Molport: MolPort-002-317-179
AKOS: AKOS009151503
Angene Building Blocks: AGN-PC-00N11H
Apexmol Building Blocks: AM85994...33 total

ref: mol2, SDF, SMILES, flexibase
3.54,6.53,-2.47,0,0,0, 267.923, 1
1847409
 
#88

ChemMol: 98000051, 96707512, 30105734, 44004783, 44009585, 1200045
Acros Organics: 19796
AKOS: AKOS000446925
Alfa-Aesar: A12692
Anward: ANW-30169...69 total

ref: mol2, SDF, SMILES, flexibase
2.76,5.92,-3.54,0,0,0, 189.027, 1
1592391
 
#89

ChemMol: 96707514, 1200046, 98000067
Acros Organics: 11940
Alfa-Aesar: A15446
Anward: ANW-30332
Apexmol Building Blocks: AM20040511...54 total

ref: mol2, SDF, SMILES, flexibase
2.78,5.93,-3.43,0,0,0, 189.027, 1
164900
 
#90

ChemMol: 1200047, 1030187, 44003371, 98000078, 96707516
Acros Organics: 19797
AKOS: AKOS000279323
Alfa-Aesar: A10208
Angene Building Blocks: AGN-PC-0BZ2R4...62 total

ref: mol2, SDF, SMILES, flexibase
2.81,5.95,-3.23,0,0,0, 189.027, 1
2140876
 
#91

ChemMol: 44000532, 98000318, 30113175, 1200030, 1030193
eMolecules: 481943
Scientific Exchange (make on demand): X-046458
Acros Organics: 16313
AK Scientific: N739...79 total

ref: mol2, SDF, SMILES, flexibase
2.35,1.86,-6.15,0,1,0, 196.047, 1

Similar to: 38587813,
1700477
 
#92

ChemMol: 2100269, 98000329, 30103081, 44003050, 1200031
eMolecules: 481347
Acros Organics: 16351
AK Scientific: N740
AKOS: AKOS009085662...65 total

ref: mol2, SDF, SMILES, flexibase
2.38,2.01,-5.93,0,1,0, 196.047, 1

Similar to: 34319922, 34319923,
1621442
 
#93

ChemMol: 1200032, 44001057, 1030236, 42305387, 98000279, 30103086
eMolecules: 481826
Molport: MolPort-000-871-738
Scientific Exchange (make on demand): X-076117
Acros Organics: 16276...75 total

ref: mol2, SDF, SMILES, flexibase
2.40,2.01,-5.72,0,1,0, 196.047, 1
2558989
 
#94

ChemMol: 44001212, 30108959
Acros Organics: 39311
AKOS: AKOS009156466
Apexmol Building Blocks: AM20041283
APIChem: AC-566...39 total

ref: mol2, SDF, SMILES, flexibase
2.68,0.65,-3.99,0,1,0, 201.063, 2
2570046
 
#95

ChemMol: 44014847
Molport: MolPort-002-471-271
Anward: ANW-26204
Apexmol Building Blocks: AM81634
Beijing Acemol Technology: AMBZ0162...43 total

ref: mol2, SDF, SMILES, flexibase
2.70,0.65,-3.84,0,1,0, 201.063, 2

Similar to: 34227240,
2560076
 
#96

ChemMol: 1200026, 44008737, 98001926
Acros Organics: 44387
AK Scientific: X3199
AKOS: AKOS015836008
Alfa-Aesar: B21715...40 total

ref: mol2, SDF, SMILES, flexibase
3.68,6.84,-2.57,0,0,0, 296.933, 1
2566214
 
#97

ChemMol: 1200027, 98001041
Acros Organics: 39253
Alfa-Aesar: A11140
Anward: ANW-30803
Apexmol Building Blocks: AM20040565...37 total

ref: mol2, SDF, SMILES, flexibase
3.70,6.98,-2.53,0,0,0, 296.933, 1
559397
 
#98

ChemMol: 1200028, 30108159, 98001833, 1030051, 44006281
eMolecules: 45489706
Acorn PharmaTech: ACN-S002718
Acros Organics: 34246
AKOS: AKOS000294942...62 total

ref: mol2, SDF, SMILES, flexibase
3.73,6.99,-2.43,0,0,0, 296.933, 1
1420748
 
#99

AKOS: AKOS009309665
Angene Building Blocks: AGN-PC-0K63VZ
Anward: ANW-52298
Apexmol Building Blocks: AM85626
Ark Pharm Building Blocks: AK-33646...35 total

ref: mol2, SDF, SMILES, flexibase
4.27,0.82,-4.91,0,1,0, 277.161, 4

Similar to: 34961823, 34961831, 37094261, 37094274, 37094276, ... 6 in total.
1731683
 
#100

ChemMol: 96700000, 1035600, 30110856, 98000031, 44009100
Molport: MolPort-001-791-680
Acros Organics: 34550
AK Scientific: Q495
AKOS: AKOS000120823...57 total

ref: mol2, SDF, SMILES, flexibase
4.35,8.21,-2.07,0,0,0, 227.145, 2

Old detail retrieval took 1 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 834 ) limit 0,100

Smiles were